Structure Database (LMSD)
Common Name
Isobehenic acid
Systematic Name
20-methyl-heneicosanoic acid
Synonyms
- 20-methyl-henicosanoic acid
3D model of Isobehenic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
HJVKLVGLKNGYGQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44O2/c1-21(2)19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22(23)24/h21H,3-20H2,1-2H3,(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCC(=O)O)CCCCCC(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
19
Van der Waals Molecular Volume
404.10
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.75
Molar Refractivity
105.58
Admin
Created at
-
Updated at
-